SCHEMBL2955162

SCHEMBL2955162

N#C/C=C(\C#N)C1CC(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.38
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
HSD11B1 P28845 1/20 0.35
AKR1C3 P42330 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S100A4 P26447 1/20 0.33
P2RX7 Q99572 1/20 0.32
HTR2C P28335 2/20 0.32
PIM1 P11309 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
AXL P30530 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2955164 1.00 GLS (0.38) GLSADORA3ARHSD11B1AKR1C3
SCHEMBL8629991 0.76
SCHEMBL6672819 0.73 PIM1 (0.37) PIM1EDNRBEDNRA
SCHEMBL916737 0.71 ALDH1A1 (0.53) GLSADORA3ARHSD11B1AKR1C3
SCHEMBL28850201 0.71 ALDH1A1 (0.53) GLSADORA3ARHSD11B1AKR1C3
SCHEMBL30991817 0.70 AR (0.36) GLSADORA3ARHSD11B1AKR1C3
SCHEMBL2955165 0.70 AR (0.36) GLSADORA3ARHSD11B1AKR1C3
SCHEMBL15107233 0.69 GLS (0.46) GLSADORA3ARHSD11B1AKR1C3
SCHEMBL15129174 0.69 GLS (0.46) GLSADORA3ARHSD11B1AKR1C3
SCHEMBL15129443 0.69 GLS (0.46) GLSADORA3ARHSD11B1AKR1C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688906-A Highly efficient nonlinear optical polyimides ENICHEM S.P.A. (IT) 1997-11-18 US claimed
US-5679763-A Polyquinoline-based nonlinear optical materials ENICHEM S.P.A. (IT) 1997-10-21 US claimed
EP-0791849-A1 Non-linear optical compounds ENICHEM S.p.A. (IT) 1997-08-27 EP claimed
EP-0729056-A1 Polyquinoline-based nonlinear optical materials ENICHEM S.p.A. (IT) 1996-08-28 EP claimed
US-5514799-A 1,1-vinyl substituted nonlinear optical materials ENICHEM S.P.A. (IT) 1996-05-07 US claimed
EP-0647874-A1 Highly efficient nonlinear optical polyimides ENICHEM S.p.A. (IT) 1995-04-12 EP claimed
EP-0637774-A1 1,1-Vinyl substituted nonlinear optical materials ENICHEM S.p.A. (IT) 1995-02-08 EP claimed
JP-11002847-A None JP disclosed
US-7759356-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-20 US disclosed
US-7754730-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-07-13 US disclosed
EP-1673354-B1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-04-22 EP disclosed
US-20090054429-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS JANSSEN PHARMACEUTICA NV (BE) 2009-02-26 US disclosed
US-7468373-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-12-23 US disclosed
EP-0791849-A1 Non-linear optical compounds ENICHEM S.p.A. (IT) 1997-08-27 EP disclosed
EP-0729056-A1 Polyquinoline-based nonlinear optical materials ENICHEM S.p.A. (IT) 1996-08-28 EP disclosed
EP-0727692-A2 Process for intramolecularly condensing a non-linear optical polyamic acid composition ENICHEM S.p.A. (IT) 1996-08-21 EP disclosed
US-5514799-A 1,1-vinyl substituted nonlinear optical materials ENICHEM S.P.A. (IT) 1996-05-07 US disclosed
EP-0647874-A1 Highly efficient nonlinear optical polyimides ENICHEM S.p.A. (IT) 1995-04-12 EP disclosed
EP-0602654-A1 Efficient electron-donating groups for nonlinear optical applictions ENICHEM S.p.A. (IT) 1994-06-22 EP disclosed
EP-0585999-A1 Functional heteroaromatics for NLO applications ENICHEM S.p.A. (IT) 1994-03-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054429-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ADORA2A, ADORA1, ADORA3 GLS 1732/4885ADORA3 3/4885AR 1412/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.